3-chloranyl-4-fluoranyl-N-[2-(furan-2-yl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[2-(furan-2-yl)-6,12-bis(oxidanylidene)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide Openeye Name: 3-chloro-4-fluoro-N-[2-(2-furyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide CAS Name: 3-chloro-4-fluoro-N-[2-(2-furanyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide IUPAC Name: 3-chloro-4-fluoro-N-[2-(furan-2-yl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide Traditional Name: 3-chloro-4-fluoro-N-[2-(2-furyl)-6,12-diketo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]benzamide Formula: C24H19ClFN3O4 MolecularWeight: 467.876763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CC1NC(=O)C3=CC(=C(C=C3)F)Cl)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CO5

Isomeric SMILES

C1CN2C(CC1NC(=O)C3=CC(=C(C=C3)F)Cl)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CO5

InChI

InChI=1S/C24H19ClFN3O4/c25-17-11-14(3-5-18(17)26)22(30)27-15-7-8-29-20(12-15)23(31)28-19-6-4-13(10-16(19)24(29)32)21-2-1-9-33-21/h1-6,9-11,15,20H,7-8,12H2,(H,27,30)(H,28,31)